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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Neurotensin receptor type 1
Species	Homo sapiens (Human)
Gene	NTSR1
Synonym	NTSR1 NTS1 receptor NTRH NTR1 NTR NT-R-1 NT-1R neurotensin receptor type 1 neurotensin receptor 1 (high affinity) Levocabastin-insensitive neurotensin receptor High-affinity levocabastine-insensitive neurotensin receptor [ Show all ]
Disease	Acute or chronic pain Alcohol use disorders Pain Inflammatory bowel disease Neurological disease
Length	418
Amino acid sequence	MRLNSSAPGTPGTPAADPFQRAQAGLEEALLAPGFGNASGNASERVLAAPSSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLARKKSLQSLQSTVHYHLGSLALSDLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVASLSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQNRSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIANKLTVMVRQAAEQGQVCTVGGEHSTFSMAIEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYISDEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLATLACLCPVWRRRRKRPAFSRKADSVSSNHTLSSNATRETLY
UniProt	P30989
Protein Data Bank	N/A
GPCR-HGmod model	P30989
3D structure model	This predicted structure model is from GPCR-EXP P30989.
BioLiP	N/A
Therapeutic Target Database	T02728
ChEMBL	CHEMBL4123
IUPHAR	309
DrugBank	N/A

Ligand

Name	F-L-Leu
Molecular formula	C21H23NO4
IUPAC name	2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
Molecular weight	353.418
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.4
Synonyms	2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-methylpentanoic acid AB01273269-03 BRD-A47633927-001-01-8 GTPL2705 n-[(9h-fluoren-9-ylmethoxy)carbonyl]leucin SCHEMBL1002861 VA50367 2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)-4-METHYLPENTANOIC ACID ACMC-2099ky CHEMBL294989 IN1334 NSC-334290 (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-4-methylpentanoic acid 9-FLUORENYLMETHOXYCARBONYL-L-LEUCINE AKOS017268980 N- (9-FLUORENYLMETHOXYCARBONYL)-L-LEUCINE (NPC-15199) SBB056939 2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-methyl-pentanoic acid AC1L1HVH CHEBI:91726 HMS3266H19 NCGC00095919-01 TL8002644 Z56899084 4CH-016335 ACMC-209iik CTK8G6077 MCULE-9756712983 NSC334290 126727-03-5 AB0123086 BDBM50034787 Fmoc-DL-leucine N-alpha-Fmoc-L-leucine SC-03797 2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid AC1Q5SK7 I05-0137 NCGC00095919-02 VA50315 AKOS001044199 D03NZU MolPort-003-700-319 PPARgamma Activator, Fmoc-Leu [ Show all ]
Inchi Key	CBPJQFCAFFNICX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
PubChem CID	4308
ChEMBL	CHEMBL294989
IUPHAR	N/A
BindingDB	50034787
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	216.0 nM	PMID19195889	BindingDB,ChEMBL
EC50	215500.0 nM	PMID18849166	BindingDB,ChEMBL
Emax	60.0 %	PMID19195889, PMID18849166	ChEMBL
IC50	3.79 nM	PMID18849166	BindingDB,ChEMBL

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